tert-부틸2,7-디아자스피로[3.5]노난-7-카르복실레이트

tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate

HCID 24820512

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 896464-16-7
표준 SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CNC2
InChIKey: NRADOPGBTAJXKB-UHFFFAOYSA-N
분자식: C12H22N2O2
평균 분자량: 226.32 g/mol
단동위원소 질량: 226.16812794

이름 및 식별자

우선 이름: tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
IUPAC: tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
현지명: tert-부틸2,7-디아자스피로[3.5]노난-7-카르복실레이트
영어명: tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
분자식: C12H22N2O2
분자량: 226.32

이름 및 동의어

tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate896464-16-7DTXSID90647549TERT-BUTYL 2,7-DIAZASPIRO(3.5)NONANE-7-CARBOXYLATERefChem:383138DTXCID90598300813-018-6MFCD098396407-Boc-2,7-diaza-spiro[3.5]nonane2,7-Diaza-spiro[3.5]nonane-7-carboxylic acid tert-butyl ester2,7-Diazaspiro[3.5]nonane-7-carboxylic acid 1,1-dimethyl ethyl ester7-BOC-2,7-DIAZASPIRO[3.5]NONANE

이름 더 보기

tert-부틸2,7-디아자스피로[3.5]노난-7-카르복실레이트7-Boc-2,7-diaza-spiro3.5nonetert-Butyl 2,7-diazaspiro[3.5]none-7-carboxylateert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylatetert-butyl 2,7-diazaspiro(3,5)nonane-7-carboxylate hcltert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate 98%tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate?New2,7-Diazaspiro[3,5]nonane-7-carboxylate tert-butyl estertert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylatecarboxylate

2,7-Diazaspiro[3.5]nonane-7-carboxylicacid tert-butyl estertert-butyl 2,7-diazaspiro[3,5]nonane-7-carboxylatetert-butyl 2,7-Diazaspiro(3,5)nonane-7-carboxylateV7F4TK4VQNtert-butyl2,7-diazaspiro[3.5]nonane-7-carboxylateSCHEMBL994268orb3176672NRADOPGBTAJXKB-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 896464-16-7
PubChem CID: 24820512
DTXSID: DTXSID90647549
UNII: V7F4TK4VQN
EC Number: 813-018-6

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 269

물리화학적 성질

끓는 점: 319 °C · 319 °C
밀도: 1.08 · 1.08
인화점: 147 °C · 147 °C
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 10.68 · 10.68±0.20(Predicted)
물리적 상태: 기름
색상: 연노랑
InChI: InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12/h13H,4-9H2,1-3H3
InChIKey: NRADOPGBTAJXKB-UHFFFAOYSA-N
SMILES: C1C2(CCN(C(OC(C)(C)C)=O)CC2)CN1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

안전 데이터

ridadr: UN2811
HS 번호: 2933998090

화학 및 산업

응용 분야

용도2,7-Diazaspiro[3.5]nonane-7-carboxylic Acid tert-Butyl Ester is a reagent in the synthesis of RET kinase inhibitors. In addition it is used in the preparation of CDK4/6 inhibitors.